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1024368-23-7 | Acetic acid, 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-, methyl ester
CAS No: 1024368-23-7 Catalog No: AG0007HP MDL No:MFCD00245199
Product Description
Catalog Number:
AG0007HP
Chemical Name:
Acetic acid, 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-, methyl ester
CAS Number:
1024368-23-7
Molecular Formula:
C9H7ClF3NO2S
Molecular Weight:
285.6706
MDL Number:
MFCD00245199
IUPAC Name:
methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylacetate
InChI:
InChI=1S/C9H7ClF3NO2S/c1-16-7(15)4-17-8-6(10)2-5(3-14-8)9(11,12)13/h2-3H,4H2,1H3
InChI Key:
QVAOQFSVNMEAGO-UHFFFAOYSA-N
SMILES:
COC(=O)CSc1ncc(cc1Cl)C(F)(F)F
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.984g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.665g/mol
Monoisotopic Mass:
284.984g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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